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Model for Superconducting Tc of High Pressure Hydrides

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the superconducting transition temperature of hydride materials under pressure. The dataset contains the structures and DFT calculated Tc of the hydride materials under various amounts of pressure plus the DFT dataset of bulk hydride materials. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links:,


Model benchmarks

Model nameDataset MAE Team name Dataset size Date submitted Notes
alignn_hydride_supercon_plusbulkdft_3d7.9619ALIGNN199305-16-2024CSV, JSON,, Info